SCHEMBL2604741

SCHEMBL2604741

O=C(OCCOC(=O)c1cccc(C(=O)c2ccccc2)c1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ATM Q13315 1/20 0.67
LMNA P02545 1/20 0.55
ALDH1A1 P00352 1/20 0.52
PBRM1 Q86U86 1/20 0.52
SERPINE1 P05121 1/20 0.49
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31339938 1.00 TDP1 (0.67) TDP1L3MBTL1ATMLMNAALDH1A1
SCHEMBL31734100 0.93 TDP1 (0.70) TDP1L3MBTL1ATMLMNAALDH1A1
SCHEMBL16561497 0.91 TDP1 (0.60) TDP1L3MBTL1ATMLMNAALDH1A1
SCHEMBL4570319 0.90 TDP1 (0.70) TDP1L3MBTL1ATMLMNAALDH1A1
SCHEMBL2606463 0.87 PTGS1 (0.51) TDP1L3MBTL1ATMLMNAALDH1A1
SCHEMBL11239419 0.86 TDP1 (0.70) TDP1L3MBTL1LMNAALDH1A1ESR1
SCHEMBL12111438 0.86 TDP1 (0.53) TDP1L3MBTL1ATMLMNAALDH1A1
SCHEMBL14216634 0.86 TDP1 (0.58) TDP1L3MBTL1ATMLMNAPBRM1
SCHEMBL1534235 0.86 ATM (0.62) TDP1L3MBTL1ATMLMNAALDH1A1
SCHEMBL16561536 0.85 TDP1 (0.49) TDP1L3MBTL1ATMLMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9454077-B2 Photochemical methods and photoactive compounds for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-09-27 US disclosed
US-9454077-B2 Photochemical methods and photoactive compounds for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-09-27 US disclosed
US-20160231649-A1 Photochemical Methods and Photoactive Compounds for Modifying Surfaces NATIONAL SCIENCE FOUNDATION 2016-08-11 US disclosed
US-20160231649-A1 Photochemical Methods and Photoactive Compounds for Modifying Surfaces NATIONAL SCIENCE FOUNDATION 2016-08-11 US disclosed
US-8957225-B2 Photochemical methods and photoactive compounds for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-02-17 US disclosed
US-8957225-B2 Photochemical methods and photoactive compounds for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-02-17 US disclosed
US-20120178650-A1 PHOTOCHEMICAL METHODS AND PHOTOACTIVE COMPOUNDS FOR MODIFYING SURFACES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-07-12 US disclosed
US-20120178650-A1 PHOTOCHEMICAL METHODS AND PHOTOACTIVE COMPOUNDS FOR MODIFYING SURFACES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-07-12 US disclosed
US-8158832-B2 Photochemical methods and photoactive compounds for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-04-17 US disclosed
US-8158832-B2 Photochemical methods and photoactive compounds for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-04-17 US disclosed
US-20100099580-A1 Photochemical methods and photoactive compounds for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-04-22 US disclosed
US-20100099580-A1 Photochemical methods and photoactive compounds for modifying surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-04-22 US disclosed
WO-2008054398-A2 PHOTOCHEMICAL METHODS AND PHOTOACTIVE COMPOUNDS FOR MODIFYING SURFACES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178650-A1 PHOTOCHEMICAL METHODS AND PHOTOACTIVE COMPOUNDS FOR MODIFYING SURFACES DDT, SELE, DNMT1 TDP1 2073/4885L3MBTL1 2712/4885ATM 3186/4885
US-20100099580-A1 Photochemical methods and photoactive compounds for modifying surfaces DDT, SELE, DNMT1 TDP1 2073/4885L3MBTL1 2712/4885ATM 3186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.